U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on BaLiP by Materials Project
Abstract
LiBaP crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Li1+ is bonded in a trigonal planar geometry to three equivalent P3- atoms. All Li–P bond lengths are 2.56 Å. Ba2+ is bonded to six equivalent P3- atoms to form a mixture of distorted corner, edge, and face-sharing BaP6 pentagonal pyramids. All Ba–P bond lengths are 3.42 Å. P3- is bonded in a distorted trigonal planar geometry to three equivalent Li1+ and six equivalent Ba2+ atoms.
- Publication Date:
- Other Number(s):
- mp-10615
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Ba-Li-P; BaLiP; crystal structure
- OSTI Identifier:
- 1187228
- DOI:
- https://doi.org/10.17188/1187228
Citation Formats
Materials Data on BaLiP by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1187228.
Materials Data on BaLiP by Materials Project. United States. doi:https://doi.org/10.17188/1187228
2020.
"Materials Data on BaLiP by Materials Project". United States. doi:https://doi.org/10.17188/1187228. https://www.osti.gov/servlets/purl/1187228. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1187228,
title = {Materials Data on BaLiP by Materials Project},
abstractNote = {LiBaP crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Li1+ is bonded in a trigonal planar geometry to three equivalent P3- atoms. All Li–P bond lengths are 2.56 Å. Ba2+ is bonded to six equivalent P3- atoms to form a mixture of distorted corner, edge, and face-sharing BaP6 pentagonal pyramids. All Ba–P bond lengths are 3.42 Å. P3- is bonded in a distorted trigonal planar geometry to three equivalent Li1+ and six equivalent Ba2+ atoms.},
doi = {10.17188/1187228},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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